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Supplementary data for the article: Milićević, T.; Relić, D.; Urošević, M. A.; Vuković, G.; Škrivanj, S.; Samson, R.; Popović, A. Integrated Approach to Environmental Pollution Investigation – Spatial and Temporal Patterns of Potentially Toxic Elements and Magnetic Particles in Vineyard through the Entire Grapevine Season. Ecotoxicology and Environmental Safety 2018, 163, 245–254. https://doi.org/10.1016/j.ecoenv.2018.07.078

Milićević, Tijana; Relić, Dubravka; Urošević-Aničić, Mira; Vuković, Gordana P.; Škrivanj, Sandra B.; Samson, Roeland; Popović, Aleksandar R.

(Academic Press Inc Elsevier Science, San Diego, 2018)

TY  - DATA
AU  - Milićević, Tijana
AU  - Relić, Dubravka
AU  - Urošević-Aničić, Mira
AU  - Vuković, Gordana P.
AU  - Škrivanj, Sandra B.
AU  - Samson, Roeland
AU  - Popović, Aleksandar R.
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3072
PB  - Academic Press Inc Elsevier Science, San Diego
T2  - Ecotoxicology and Environmental Safety
T1  - Supplementary data for the article: Milićević, T.; Relić, D.; Urošević, M. A.; Vuković, G.; Škrivanj, S.; Samson, R.; Popović, A. Integrated Approach to Environmental Pollution Investigation – Spatial and Temporal Patterns of Potentially Toxic Elements and Magnetic Particles in Vineyard through the Entire Grapevine Season. Ecotoxicology and Environmental Safety 2018, 163, 245–254. https://doi.org/10.1016/j.ecoenv.2018.07.078
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3072
ER  - 
@misc{
author = "Milićević, Tijana and Relić, Dubravka and Urošević-Aničić, Mira and Vuković, Gordana P. and Škrivanj, Sandra B. and Samson, Roeland and Popović, Aleksandar R.",
year = "2018",
publisher = "Academic Press Inc Elsevier Science, San Diego",
journal = "Ecotoxicology and Environmental Safety",
title = "Supplementary data for the article: Milićević, T.; Relić, D.; Urošević, M. A.; Vuković, G.; Škrivanj, S.; Samson, R.; Popović, A. Integrated Approach to Environmental Pollution Investigation – Spatial and Temporal Patterns of Potentially Toxic Elements and Magnetic Particles in Vineyard through the Entire Grapevine Season. Ecotoxicology and Environmental Safety 2018, 163, 245–254. https://doi.org/10.1016/j.ecoenv.2018.07.078",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3072"
}
Milićević, T., Relić, D., Urošević-Aničić, M., Vuković, G. P., Škrivanj, S. B., Samson, R.,& Popović, A. R.. (2018). Supplementary data for the article: Milićević, T.; Relić, D.; Urošević, M. A.; Vuković, G.; Škrivanj, S.; Samson, R.; Popović, A. Integrated Approach to Environmental Pollution Investigation – Spatial and Temporal Patterns of Potentially Toxic Elements and Magnetic Particles in Vineyard through the Entire Grapevine Season. Ecotoxicology and Environmental Safety 2018, 163, 245–254. https://doi.org/10.1016/j.ecoenv.2018.07.078. in Ecotoxicology and Environmental Safety
Academic Press Inc Elsevier Science, San Diego..
https://hdl.handle.net/21.15107/rcub_cherry_3072
Milićević T, Relić D, Urošević-Aničić M, Vuković GP, Škrivanj SB, Samson R, Popović AR. Supplementary data for the article: Milićević, T.; Relić, D.; Urošević, M. A.; Vuković, G.; Škrivanj, S.; Samson, R.; Popović, A. Integrated Approach to Environmental Pollution Investigation – Spatial and Temporal Patterns of Potentially Toxic Elements and Magnetic Particles in Vineyard through the Entire Grapevine Season. Ecotoxicology and Environmental Safety 2018, 163, 245–254. https://doi.org/10.1016/j.ecoenv.2018.07.078. in Ecotoxicology and Environmental Safety. 2018;.
https://hdl.handle.net/21.15107/rcub_cherry_3072 .
Milićević, Tijana, Relić, Dubravka, Urošević-Aničić, Mira, Vuković, Gordana P., Škrivanj, Sandra B., Samson, Roeland, Popović, Aleksandar R., "Supplementary data for the article: Milićević, T.; Relić, D.; Urošević, M. A.; Vuković, G.; Škrivanj, S.; Samson, R.; Popović, A. Integrated Approach to Environmental Pollution Investigation – Spatial and Temporal Patterns of Potentially Toxic Elements and Magnetic Particles in Vineyard through the Entire Grapevine Season. Ecotoxicology and Environmental Safety 2018, 163, 245–254. https://doi.org/10.1016/j.ecoenv.2018.07.078" in Ecotoxicology and Environmental Safety (2018),
https://hdl.handle.net/21.15107/rcub_cherry_3072 .

Integrated approach to environmental pollution investigation - Spatial and temporal patterns of potentially toxic elements and magnetic particles in vineyard through the entire grapevine season

Milićević, Tijana; Relić, Dubravka; Urošević-Aničić, Mira; Vuković, Gordana P.; Škrivanj, Sandra B.; Samson, Roeland; Popović, Aleksandar R.

(Academic Press Inc Elsevier Science, San Diego, 2018)

TY  - JOUR
AU  - Milićević, Tijana
AU  - Relić, Dubravka
AU  - Urošević-Aničić, Mira
AU  - Vuković, Gordana P.
AU  - Škrivanj, Sandra B.
AU  - Samson, Roeland
AU  - Popović, Aleksandar R.
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2210
AB  - An integrated approach to the investigation of potentially toxic elements (PTEs) was applied to the soil and grapevine leaf samples collected from vineyard environment through the grapevine season. To investigate mobile and bioavailable concentrations of PTEs, six single extraction procedures and pseudo-total digestion were applied to the samples. The element concentrations in the samples were measured using inductively coupled plasma-optical emission spectrometry (ICP-OES) and inductively coupled plasma-mass spectrometry (ICP-MS). To assess atmospheric particle deposition, saturation isothermal remanent magnetisation (SIRM) was applied to the leaf samples. The obtained PTE concentrations in samples were used for calculating various ecological implications in the vineyard environment. The notable environmental pollution implications were estimated for As, B, Cd, Co, Cr, Cu, Mn, Ni and Sr. The environmental risk (RI) of the elements soluble under low-acid conditions influenced soil bioavailability risk. The most bioavailable elements from soil to leaves were Mn, Ni and Sr, followed by Cr and Cu. Cadmium and Co were strongly-bonded in the soil and were not bioavailable. The most suitable extractants for assessing bioavailability in the soil-leaf system were chelating agent Na-2 EDTA, and weak salt solutions CaCl2 and NH4NO3. The biological accumulation concentrations (BACs) of B, Ba, Cd, Co, Ni and Zn were decreasing in the leaves through the grapevine growing phases, that is contributed to the decreasing agrochemical application through the season. The BACs of Co, Cr, Sb and Pb, in July (veraison), were higher than in other phases, which indicate anthropogenic activities. According to correlations between biogeochemical index (BGI) and BAC, Cu and Na were mostly bioaccumulated from soil to leaves due to agrochemical applications, while bioaccumulation of B, Cd, Sb and Sr could be influenced by the other anthropogenic sources. Significant correlations between PTE concentrations and SIRM imply that leaves indicate Co, Cr and Ni air pollution in the vineyard environment.
PB  - Academic Press Inc Elsevier Science, San Diego
T2  - Ecotoxicology and Environmental Safety
T1  - Integrated approach to environmental pollution investigation - Spatial and temporal patterns of potentially toxic elements and magnetic particles in vineyard through the entire grapevine season
VL  - 163
SP  - 245
EP  - 254
DO  - 10.1016/j.ecoenv.2018.07.078
ER  - 
@article{
author = "Milićević, Tijana and Relić, Dubravka and Urošević-Aničić, Mira and Vuković, Gordana P. and Škrivanj, Sandra B. and Samson, Roeland and Popović, Aleksandar R.",
year = "2018",
abstract = "An integrated approach to the investigation of potentially toxic elements (PTEs) was applied to the soil and grapevine leaf samples collected from vineyard environment through the grapevine season. To investigate mobile and bioavailable concentrations of PTEs, six single extraction procedures and pseudo-total digestion were applied to the samples. The element concentrations in the samples were measured using inductively coupled plasma-optical emission spectrometry (ICP-OES) and inductively coupled plasma-mass spectrometry (ICP-MS). To assess atmospheric particle deposition, saturation isothermal remanent magnetisation (SIRM) was applied to the leaf samples. The obtained PTE concentrations in samples were used for calculating various ecological implications in the vineyard environment. The notable environmental pollution implications were estimated for As, B, Cd, Co, Cr, Cu, Mn, Ni and Sr. The environmental risk (RI) of the elements soluble under low-acid conditions influenced soil bioavailability risk. The most bioavailable elements from soil to leaves were Mn, Ni and Sr, followed by Cr and Cu. Cadmium and Co were strongly-bonded in the soil and were not bioavailable. The most suitable extractants for assessing bioavailability in the soil-leaf system were chelating agent Na-2 EDTA, and weak salt solutions CaCl2 and NH4NO3. The biological accumulation concentrations (BACs) of B, Ba, Cd, Co, Ni and Zn were decreasing in the leaves through the grapevine growing phases, that is contributed to the decreasing agrochemical application through the season. The BACs of Co, Cr, Sb and Pb, in July (veraison), were higher than in other phases, which indicate anthropogenic activities. According to correlations between biogeochemical index (BGI) and BAC, Cu and Na were mostly bioaccumulated from soil to leaves due to agrochemical applications, while bioaccumulation of B, Cd, Sb and Sr could be influenced by the other anthropogenic sources. Significant correlations between PTE concentrations and SIRM imply that leaves indicate Co, Cr and Ni air pollution in the vineyard environment.",
publisher = "Academic Press Inc Elsevier Science, San Diego",
journal = "Ecotoxicology and Environmental Safety",
title = "Integrated approach to environmental pollution investigation - Spatial and temporal patterns of potentially toxic elements and magnetic particles in vineyard through the entire grapevine season",
volume = "163",
pages = "245-254",
doi = "10.1016/j.ecoenv.2018.07.078"
}
Milićević, T., Relić, D., Urošević-Aničić, M., Vuković, G. P., Škrivanj, S. B., Samson, R.,& Popović, A. R.. (2018). Integrated approach to environmental pollution investigation - Spatial and temporal patterns of potentially toxic elements and magnetic particles in vineyard through the entire grapevine season. in Ecotoxicology and Environmental Safety
Academic Press Inc Elsevier Science, San Diego., 163, 245-254.
https://doi.org/10.1016/j.ecoenv.2018.07.078
Milićević T, Relić D, Urošević-Aničić M, Vuković GP, Škrivanj SB, Samson R, Popović AR. Integrated approach to environmental pollution investigation - Spatial and temporal patterns of potentially toxic elements and magnetic particles in vineyard through the entire grapevine season. in Ecotoxicology and Environmental Safety. 2018;163:245-254.
doi:10.1016/j.ecoenv.2018.07.078 .
Milićević, Tijana, Relić, Dubravka, Urošević-Aničić, Mira, Vuković, Gordana P., Škrivanj, Sandra B., Samson, Roeland, Popović, Aleksandar R., "Integrated approach to environmental pollution investigation - Spatial and temporal patterns of potentially toxic elements and magnetic particles in vineyard through the entire grapevine season" in Ecotoxicology and Environmental Safety, 163 (2018):245-254,
https://doi.org/10.1016/j.ecoenv.2018.07.078 . .
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Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f

Filipović, Nenad R.; Bjelogrlić, Snežana K.; Marinković, Aleksandar; Verbić, Tatjana; Cvijetić, Ilija; Senćanski, Milan; Rodić, Marko; Vujčić, Miroslava; Sladić, Dušan; Striković, Zlatko; Todorović, Tamara; Muller, Christian D.

(Royal Soc Chemistry, Cambridge, 2015)

TY  - DATA
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Marinković, Aleksandar
AU  - Verbić, Tatjana
AU  - Cvijetić, Ilija
AU  - Senćanski, Milan
AU  - Rodić, Marko
AU  - Vujčić, Miroslava
AU  - Sladić, Dušan
AU  - Striković, Zlatko
AU  - Todorović, Tamara
AU  - Muller, Christian D.
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3461
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3461
ER  - 
@misc{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Marinković, Aleksandar and Verbić, Tatjana and Cvijetić, Ilija and Senćanski, Milan and Rodić, Marko and Vujčić, Miroslava and Sladić, Dušan and Striković, Zlatko and Todorović, Tamara and Muller, Christian D.",
year = "2015",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3461"
}
Filipović, N. R., Bjelogrlić, S. K., Marinković, A., Verbić, T., Cvijetić, I., Senćanski, M., Rodić, M., Vujčić, M., Sladić, D., Striković, Z., Todorović, T.,& Muller, C. D.. (2015). Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f. in RSC Advances
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3461
Filipović NR, Bjelogrlić SK, Marinković A, Verbić T, Cvijetić I, Senćanski M, Rodić M, Vujčić M, Sladić D, Striković Z, Todorović T, Muller CD. Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f. in RSC Advances. 2015;.
https://hdl.handle.net/21.15107/rcub_cherry_3461 .
Filipović, Nenad R., Bjelogrlić, Snežana K., Marinković, Aleksandar, Verbić, Tatjana, Cvijetić, Ilija, Senćanski, Milan, Rodić, Marko, Vujčić, Miroslava, Sladić, Dušan, Striković, Zlatko, Todorović, Tamara, Muller, Christian D., "Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f" in RSC Advances (2015),
https://hdl.handle.net/21.15107/rcub_cherry_3461 .

Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction

Filipović, Nenad R.; Bjelogrlić, Snežana K.; Marinković, Aleksandar; Verbić, Tatjana; Cvijetić, Ilija; Senćanski, Milan; Rodić, Marko; Vujčić, Miroslava; Sladić, Dušan; Striković, Zlatko; Todorović, Tamara; Muller, Christian D.

(Royal Soc Chemistry, Cambridge, 2015)

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Marinković, Aleksandar
AU  - Verbić, Tatjana
AU  - Cvijetić, Ilija
AU  - Senćanski, Milan
AU  - Rodić, Marko
AU  - Vujčić, Miroslava
AU  - Sladić, Dušan
AU  - Striković, Zlatko
AU  - Todorović, Tamara
AU  - Muller, Christian D.
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1960
AB  - A new Zn(II)-based potential chemotherapeutic agent was synthesized from the ligand 2-quinolinecarboxaldehyde selenosemicarbazone (Hqasesc). Single crystal X-ray diffraction analysis showed that the Zn(II) complex consists of a cation [Zn(Hqasesc)(2)](2+), two perchlorate anions and one ethanol solvent molecule. The interaction of calf thymus (CT) DNA and human serum albumin (HSA) with the Zn(II) complex was explored using absorption and emission spectral methods, and also has been supported by molecular docking studies. The complex has more affinity to minor DNA groove than major, with no significant intercalation. The HSA interaction studies of the complex revealed the quenching of the intrinsic fluorescence of the HSA through a static quenching mechanism. The antitumor activity of the ligand and the complex against pancreatic adenocarcinoma cell line (AsPC-1) and acute monocytic leukemia (THP-1) cells was evaluated. Both compounds are strong concentration-dependent apoptosis inducers in THP-1 cells. While Hqasesc in AsPC-1 cells induces apoptosis only at the highest concentration, treatment with the Zn complex shows a concentration-dependent apoptotic response, where the treated cells are arrested in the G1-to-S phase accompanied with extensive activation of caspase-8 and -9. These results indicate that the ligand and Zn(II) complex display cell phenotype specific activity.
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction
VL  - 5
IS  - 115
SP  - 95191
EP  - 95211
DO  - 10.1039/c5ra19849f
ER  - 
@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Marinković, Aleksandar and Verbić, Tatjana and Cvijetić, Ilija and Senćanski, Milan and Rodić, Marko and Vujčić, Miroslava and Sladić, Dušan and Striković, Zlatko and Todorović, Tamara and Muller, Christian D.",
year = "2015",
abstract = "A new Zn(II)-based potential chemotherapeutic agent was synthesized from the ligand 2-quinolinecarboxaldehyde selenosemicarbazone (Hqasesc). Single crystal X-ray diffraction analysis showed that the Zn(II) complex consists of a cation [Zn(Hqasesc)(2)](2+), two perchlorate anions and one ethanol solvent molecule. The interaction of calf thymus (CT) DNA and human serum albumin (HSA) with the Zn(II) complex was explored using absorption and emission spectral methods, and also has been supported by molecular docking studies. The complex has more affinity to minor DNA groove than major, with no significant intercalation. The HSA interaction studies of the complex revealed the quenching of the intrinsic fluorescence of the HSA through a static quenching mechanism. The antitumor activity of the ligand and the complex against pancreatic adenocarcinoma cell line (AsPC-1) and acute monocytic leukemia (THP-1) cells was evaluated. Both compounds are strong concentration-dependent apoptosis inducers in THP-1 cells. While Hqasesc in AsPC-1 cells induces apoptosis only at the highest concentration, treatment with the Zn complex shows a concentration-dependent apoptotic response, where the treated cells are arrested in the G1-to-S phase accompanied with extensive activation of caspase-8 and -9. These results indicate that the ligand and Zn(II) complex display cell phenotype specific activity.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction",
volume = "5",
number = "115",
pages = "95191-95211",
doi = "10.1039/c5ra19849f"
}
Filipović, N. R., Bjelogrlić, S. K., Marinković, A., Verbić, T., Cvijetić, I., Senćanski, M., Rodić, M., Vujčić, M., Sladić, D., Striković, Z., Todorović, T.,& Muller, C. D.. (2015). Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction. in RSC Advances
Royal Soc Chemistry, Cambridge., 5(115), 95191-95211.
https://doi.org/10.1039/c5ra19849f
Filipović NR, Bjelogrlić SK, Marinković A, Verbić T, Cvijetić I, Senćanski M, Rodić M, Vujčić M, Sladić D, Striković Z, Todorović T, Muller CD. Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction. in RSC Advances. 2015;5(115):95191-95211.
doi:10.1039/c5ra19849f .
Filipović, Nenad R., Bjelogrlić, Snežana K., Marinković, Aleksandar, Verbić, Tatjana, Cvijetić, Ilija, Senćanski, Milan, Rodić, Marko, Vujčić, Miroslava, Sladić, Dušan, Striković, Zlatko, Todorović, Tamara, Muller, Christian D., "Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction" in RSC Advances, 5, no. 115 (2015):95191-95211,
https://doi.org/10.1039/c5ra19849f . .
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Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model

Šukalović, Vladimir; Šoškić, Vukić; Senćanski, Milan; Andrić, Deana; Kostić-Rajačić, Slađana

(Springer, New York, 2013)

TY  - JOUR
AU  - Šukalović, Vladimir
AU  - Šoškić, Vukić
AU  - Senćanski, Milan
AU  - Andrić, Deana
AU  - Kostić-Rajačić, Slađana
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1617
AB  - Interest in structure-based G-protein-coupled receptor (GPCR) ligand discovery is huge, given that almost 30 % of all approved drugs belong to this category of active compounds. The GPCR family includes the dopamine receptor subtype D2 (D2DR), but unfortunately-as is true of most GPCRs-no experimental structures are available for these receptors. In this publication, we present the molecular model of D2DR based on the previously published crystal structure of the dopamine D3 receptor (D3DR). A molecular modeling study using homology modeling and docking simulation provided a rational explanation for the behavior of the arylpiperazine ligand. The observed binding modes and receptor-ligand interactions provided us with fresh clues about how to optimize selectivity for D2DR receptors.
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model
VL  - 19
IS  - 4
SP  - 1751
EP  - 1762
DO  - 10.1007/s00894-012-1731-6
ER  - 
@article{
author = "Šukalović, Vladimir and Šoškić, Vukić and Senćanski, Milan and Andrić, Deana and Kostić-Rajačić, Slađana",
year = "2013",
abstract = "Interest in structure-based G-protein-coupled receptor (GPCR) ligand discovery is huge, given that almost 30 % of all approved drugs belong to this category of active compounds. The GPCR family includes the dopamine receptor subtype D2 (D2DR), but unfortunately-as is true of most GPCRs-no experimental structures are available for these receptors. In this publication, we present the molecular model of D2DR based on the previously published crystal structure of the dopamine D3 receptor (D3DR). A molecular modeling study using homology modeling and docking simulation provided a rational explanation for the behavior of the arylpiperazine ligand. The observed binding modes and receptor-ligand interactions provided us with fresh clues about how to optimize selectivity for D2DR receptors.",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model",
volume = "19",
number = "4",
pages = "1751-1762",
doi = "10.1007/s00894-012-1731-6"
}
Šukalović, V., Šoškić, V., Senćanski, M., Andrić, D.,& Kostić-Rajačić, S.. (2013). Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model. in Journal of Molecular Modeling
Springer, New York., 19(4), 1751-1762.
https://doi.org/10.1007/s00894-012-1731-6
Šukalović V, Šoškić V, Senćanski M, Andrić D, Kostić-Rajačić S. Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model. in Journal of Molecular Modeling. 2013;19(4):1751-1762.
doi:10.1007/s00894-012-1731-6 .
Šukalović, Vladimir, Šoškić, Vukić, Senćanski, Milan, Andrić, Deana, Kostić-Rajačić, Slađana, "Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model" in Journal of Molecular Modeling, 19, no. 4 (2013):1751-1762,
https://doi.org/10.1007/s00894-012-1731-6 . .
9
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9

Supplementary data for article: Šukalović, V.; Šoškić, V.; Senčanski, M.; Andrić, D.; Kostić-Rajačić, S. Determination of Key Receptor-Ligand Interactions of Dopaminergic Arylpiperazines and the Dopamine D2 Receptor Homology Model. Journal of Molecular Modeling 2013, 19 (4), 1751–1762. https://doi.org/10.1007/s00894-012-1731-6

Šukalović, Vladimir; Šoškić, Vukić; Senćanski, Milan; Andrić, Deana; Kostić-Rajačić, Slađana

(Springer, New York, 2013)

TY  - DATA
AU  - Šukalović, Vladimir
AU  - Šoškić, Vukić
AU  - Senćanski, Milan
AU  - Andrić, Deana
AU  - Kostić-Rajačić, Slađana
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3483
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - Supplementary data for article: Šukalović, V.; Šoškić, V.; Senčanski, M.; Andrić, D.; Kostić-Rajačić, S. Determination of Key Receptor-Ligand Interactions of Dopaminergic Arylpiperazines and the Dopamine D2 Receptor Homology Model. Journal of Molecular Modeling 2013, 19 (4), 1751–1762. https://doi.org/10.1007/s00894-012-1731-6
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3483
ER  - 
@misc{
author = "Šukalović, Vladimir and Šoškić, Vukić and Senćanski, Milan and Andrić, Deana and Kostić-Rajačić, Slađana",
year = "2013",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "Supplementary data for article: Šukalović, V.; Šoškić, V.; Senčanski, M.; Andrić, D.; Kostić-Rajačić, S. Determination of Key Receptor-Ligand Interactions of Dopaminergic Arylpiperazines and the Dopamine D2 Receptor Homology Model. Journal of Molecular Modeling 2013, 19 (4), 1751–1762. https://doi.org/10.1007/s00894-012-1731-6",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3483"
}
Šukalović, V., Šoškić, V., Senćanski, M., Andrić, D.,& Kostić-Rajačić, S.. (2013). Supplementary data for article: Šukalović, V.; Šoškić, V.; Senčanski, M.; Andrić, D.; Kostić-Rajačić, S. Determination of Key Receptor-Ligand Interactions of Dopaminergic Arylpiperazines and the Dopamine D2 Receptor Homology Model. Journal of Molecular Modeling 2013, 19 (4), 1751–1762. https://doi.org/10.1007/s00894-012-1731-6. in Journal of Molecular Modeling
Springer, New York..
https://hdl.handle.net/21.15107/rcub_cherry_3483
Šukalović V, Šoškić V, Senćanski M, Andrić D, Kostić-Rajačić S. Supplementary data for article: Šukalović, V.; Šoškić, V.; Senčanski, M.; Andrić, D.; Kostić-Rajačić, S. Determination of Key Receptor-Ligand Interactions of Dopaminergic Arylpiperazines and the Dopamine D2 Receptor Homology Model. Journal of Molecular Modeling 2013, 19 (4), 1751–1762. https://doi.org/10.1007/s00894-012-1731-6. in Journal of Molecular Modeling. 2013;.
https://hdl.handle.net/21.15107/rcub_cherry_3483 .
Šukalović, Vladimir, Šoškić, Vukić, Senćanski, Milan, Andrić, Deana, Kostić-Rajačić, Slađana, "Supplementary data for article: Šukalović, V.; Šoškić, V.; Senčanski, M.; Andrić, D.; Kostić-Rajačić, S. Determination of Key Receptor-Ligand Interactions of Dopaminergic Arylpiperazines and the Dopamine D2 Receptor Homology Model. Journal of Molecular Modeling 2013, 19 (4), 1751–1762. https://doi.org/10.1007/s00894-012-1731-6" in Journal of Molecular Modeling (2013),
https://hdl.handle.net/21.15107/rcub_cherry_3483 .

Fatty acids of Rhodobryum ontariense (Bryaceae)

Pejin, Boris; Bianco, A.; Newmaster, S.; Sabovljević, Marko; Vujisić, Ljubodrag V.; Tešević, Vele; Vajs, Vlatka; De Rosa, S.

(Taylor & Francis Ltd, Abingdon, 2012)

TY  - JOUR
AU  - Pejin, Boris
AU  - Bianco, A.
AU  - Newmaster, S.
AU  - Sabovljević, Marko
AU  - Vujisić, Ljubodrag V.
AU  - Tešević, Vele
AU  - Vajs, Vlatka
AU  - De Rosa, S.
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1293
AB  - The chemical composition of Rhodobryum ontariense (Kindb.) Kindb. has not been previously investigated. Fatty acids of this moss were analysed qualitatively and quantitatively with an aim to identify its corresponding pattern. A total of eight fatty acids were identified including two acetylenic ones: 9,12,15-octadecatrien-6-ynoic acid (42.26%), alpha-linolenic acid (20.32%), palmitic acid (14.31%), 9,12-octadecadienoic-6-ynoic acid (13.31%), linoleic acid (5.25%), oleic acid (2.47%), stearic acid (1.14%) and gamma-linolenic acid (0.92%). To our knowledge, this is the first record of acetylenic fatty acids in the genus Rhodobryum. In general, acetylenic fatty acids vary considerably among different moss groups and have been used as a chemotaxonomic character in bryophyte classifications. Other species of Rhodobryum from Asia have been traditionally used in ethno medicine by indigenous cultures. Two fatty acids of those reported here, 9,12,15-octadecatrien-6-ynoic and alpha-linolenic acid, have known cardio protective activity, which supports respective claims of traditional herbal use of these mosses.
PB  - Taylor & Francis Ltd, Abingdon
T2  - Natural Product Research
T1  - Fatty acids of Rhodobryum ontariense (Bryaceae)
VL  - 26
IS  - 8
SP  - 696
EP  - 702
DO  - 10.1080/14786419.2010.550580
ER  - 
@article{
author = "Pejin, Boris and Bianco, A. and Newmaster, S. and Sabovljević, Marko and Vujisić, Ljubodrag V. and Tešević, Vele and Vajs, Vlatka and De Rosa, S.",
year = "2012",
abstract = "The chemical composition of Rhodobryum ontariense (Kindb.) Kindb. has not been previously investigated. Fatty acids of this moss were analysed qualitatively and quantitatively with an aim to identify its corresponding pattern. A total of eight fatty acids were identified including two acetylenic ones: 9,12,15-octadecatrien-6-ynoic acid (42.26%), alpha-linolenic acid (20.32%), palmitic acid (14.31%), 9,12-octadecadienoic-6-ynoic acid (13.31%), linoleic acid (5.25%), oleic acid (2.47%), stearic acid (1.14%) and gamma-linolenic acid (0.92%). To our knowledge, this is the first record of acetylenic fatty acids in the genus Rhodobryum. In general, acetylenic fatty acids vary considerably among different moss groups and have been used as a chemotaxonomic character in bryophyte classifications. Other species of Rhodobryum from Asia have been traditionally used in ethno medicine by indigenous cultures. Two fatty acids of those reported here, 9,12,15-octadecatrien-6-ynoic and alpha-linolenic acid, have known cardio protective activity, which supports respective claims of traditional herbal use of these mosses.",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Natural Product Research",
title = "Fatty acids of Rhodobryum ontariense (Bryaceae)",
volume = "26",
number = "8",
pages = "696-702",
doi = "10.1080/14786419.2010.550580"
}
Pejin, B., Bianco, A., Newmaster, S., Sabovljević, M., Vujisić, L. V., Tešević, V., Vajs, V.,& De Rosa, S.. (2012). Fatty acids of Rhodobryum ontariense (Bryaceae). in Natural Product Research
Taylor & Francis Ltd, Abingdon., 26(8), 696-702.
https://doi.org/10.1080/14786419.2010.550580
Pejin B, Bianco A, Newmaster S, Sabovljević M, Vujisić LV, Tešević V, Vajs V, De Rosa S. Fatty acids of Rhodobryum ontariense (Bryaceae). in Natural Product Research. 2012;26(8):696-702.
doi:10.1080/14786419.2010.550580 .
Pejin, Boris, Bianco, A., Newmaster, S., Sabovljević, Marko, Vujisić, Ljubodrag V., Tešević, Vele, Vajs, Vlatka, De Rosa, S., "Fatty acids of Rhodobryum ontariense (Bryaceae)" in Natural Product Research, 26, no. 8 (2012):696-702,
https://doi.org/10.1080/14786419.2010.550580 . .
3
45
39
49
41

Sugar composition of the moss Rhodobryum ontariense (Kindb.) Kindb.

Pejin, Boris; Iodice, Carmine; Tommonaro, Giuseppina; Sabovljević, Marko; Bianco, Armandodoriano; Tešević, Vele; Vajs, Vlatka; De Rosa, Salvatore

(Taylor & Francis Ltd, Abingdon, 2012)

TY  - JOUR
AU  - Pejin, Boris
AU  - Iodice, Carmine
AU  - Tommonaro, Giuseppina
AU  - Sabovljević, Marko
AU  - Bianco, Armandodoriano
AU  - Tešević, Vele
AU  - Vajs, Vlatka
AU  - De Rosa, Salvatore
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1272
AB  - Although the second biggest terrestrial group of plants, bryophytes remain poorly known chemically compared to the angiosperms. In this article, the sugars of the moss Rhodobryum ontariense, an unstudied representative of the medicinally known genus, are reported. The chemical analysis revealed the usual plant sugar sucrose, and a new sugar, fructooligosaccharide 1-kestose, which is reported first not only for the genus Rhodobryum, but also for mosses. The trisaccharides have been scantily reported in bryophytes hitherto. This gives more significance to this study for further investigation of its role in the moss species. The health-promoting effect of 1-kestose is also briefly discussed.
PB  - Taylor & Francis Ltd, Abingdon
T2  - Natural Product Research
T1  - Sugar composition of the moss Rhodobryum ontariense (Kindb.) Kindb.
VL  - 26
IS  - 3
SP  - 209
EP  - 215
DO  - 10.1080/14786419.2010.535163
ER  - 
@article{
author = "Pejin, Boris and Iodice, Carmine and Tommonaro, Giuseppina and Sabovljević, Marko and Bianco, Armandodoriano and Tešević, Vele and Vajs, Vlatka and De Rosa, Salvatore",
year = "2012",
abstract = "Although the second biggest terrestrial group of plants, bryophytes remain poorly known chemically compared to the angiosperms. In this article, the sugars of the moss Rhodobryum ontariense, an unstudied representative of the medicinally known genus, are reported. The chemical analysis revealed the usual plant sugar sucrose, and a new sugar, fructooligosaccharide 1-kestose, which is reported first not only for the genus Rhodobryum, but also for mosses. The trisaccharides have been scantily reported in bryophytes hitherto. This gives more significance to this study for further investigation of its role in the moss species. The health-promoting effect of 1-kestose is also briefly discussed.",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Natural Product Research",
title = "Sugar composition of the moss Rhodobryum ontariense (Kindb.) Kindb.",
volume = "26",
number = "3",
pages = "209-215",
doi = "10.1080/14786419.2010.535163"
}
Pejin, B., Iodice, C., Tommonaro, G., Sabovljević, M., Bianco, A., Tešević, V., Vajs, V.,& De Rosa, S.. (2012). Sugar composition of the moss Rhodobryum ontariense (Kindb.) Kindb.. in Natural Product Research
Taylor & Francis Ltd, Abingdon., 26(3), 209-215.
https://doi.org/10.1080/14786419.2010.535163
Pejin B, Iodice C, Tommonaro G, Sabovljević M, Bianco A, Tešević V, Vajs V, De Rosa S. Sugar composition of the moss Rhodobryum ontariense (Kindb.) Kindb.. in Natural Product Research. 2012;26(3):209-215.
doi:10.1080/14786419.2010.535163 .
Pejin, Boris, Iodice, Carmine, Tommonaro, Giuseppina, Sabovljević, Marko, Bianco, Armandodoriano, Tešević, Vele, Vajs, Vlatka, De Rosa, Salvatore, "Sugar composition of the moss Rhodobryum ontariense (Kindb.) Kindb." in Natural Product Research, 26, no. 3 (2012):209-215,
https://doi.org/10.1080/14786419.2010.535163 . .
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